General Information of the Compound
| Compound ID |
CP0565109
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| Compound Name |
US10435369, Example 54
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| Structure |
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| Formula |
C26H25F8NO4S
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| Molecular Weight |
599.54
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| Canonical SMILES |
C[C@@H](O)CNC(=O)[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H25F8NO4S/c1-14(36)13-35-22(37)19-10-11-23(40(38,39)18-6-4-17(27)5-7-18)20-9-3-16(12-15(20)2-8-21(19)23)24(28,25(29,30)31)26(32,33)34/h3-7,9,12,14,19,21,36H,2,8,10-11,13H2,1H3,(H,35,37)/t14-,19-,21+,23-/m1/s1
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| InChIKey |
PFZGVNNSJDKHBA-PXDNOPAQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound